S-(4-Oxopyrido[1,2-a]Pyrimidin-9-Yl) Thiomorpholine-4-Carbothioate
[CAS# 125209-33-8]

Identification

• Name: S-(4-Oxopyrido[1,2-a]Pyrimidin-9-Yl) Thiomorpholine-4-Carbothioate
• Synonyms: 4-Thiomorpholinecarbothioic Acid S-[(4-Oxo-9-Pyrido[1,2-A]Pyrimidinyl)] Ester; Thiomorpholine-4-Carbothioic Acid S-(4-Ketopyrido[1,2-A]Pyrimidin-9-Yl) Ester; 4-Thiomorpholinecarbothioic Acid, S-(4-Oxo-4H-Pyrido(1,2-A)Pyrimidin-9-Yl) Ester
• Molecular Formula: C₁₃H₁₃N₃O₂S₂
• Molecular Weight: 307.38
• CAS Registry Number: 125209-33-8
• SMILES: O=C1N2C(=NC=C1)C(=CC=C2)SC(N3CCSCC3)=O
• InChI: 1S/C13H13N3O2S2/c17-11-3-4-14-12-10(2-1-5-16(11)12)20-13(18)15-6-8-19-9-7-15/h1-5H,6-9H2
• InChIKey: BCIOODXIPGKJTJ-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 523.854°C at 760 mmHg (Cal.)
• Flash point: 270.617°C (Cal.)